2-(2-ethylphenyl)-5-[4-(2-methylheptyl)-3-(trifluoromethyl)phenyl]-4H-imidazole

C26H31F3N2 — CID 71017363

IUPAC2-(2-ethylphenyl)-5-[4-(2-methylheptyl)-3-(trifluoromethyl)phenyl]-4H-imidazole
SMILESCCCCCC(C)Cc1ccc(C2=NC(c3ccccc3CC)=NC2)cc1C(F)(F)F
InChIInChI=1S/C26H31F3N2/c1-4-6-7-10-18(3)15-20-13-14-21(16-23(20)26(27,28)29)24-17-30-25(31-24)22-12-9-8-11-19(22)5-2/h8-9,11-14,16,18H,4-7,10,15,17H2,1-3H3
InChIKeyRUUXTMYXDSLIDG-UHFFFAOYSA-N
MW428.54 g/mol
LogP7.28
Rot. Bonds9

About 2-(2-ethylphenyl)-5-[4-(2-methylheptyl)-3-(trifluoromethyl)phenyl]-4H-imidazole

2-(2-ethylphenyl)-5-[4-(2-methylheptyl)-3-(trifluoromethyl)phenyl]-4H-imidazole (PubChem CID 71017363) has the molecular formula C26H31F3N2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-(2-ethylphenyl)-5-[4-(2-methylheptyl)-3-(trifluoromethyl)phenyl]-4H-imidazole.

Molecular Properties

Compound Name2-(2-ethylphenyl)-5-[4-(2-methylheptyl)-3-(trifluoromethyl)phenyl]-4H-imidazole
PubChem CID71017363
Molecular FormulaC26H31F3N2
Molecular Weight428.54 g/mol
Exact Mass428.24
IUPAC Name2-(2-ethylphenyl)-5-[4-(2-methylheptyl)-3-(trifluoromethyl)phenyl]-4H-imidazole
SMILESCCCCCC(C)Cc1ccc(C2=NC(c3ccccc3CC)=NC2)cc1C(F)(F)F
InChIInChI=1S/C26H31F3N2/c1-4-6-7-10-18(3)15-20-13-14-21(16-23(20)26(27,28)29)24-17-30-25(31-24)22-12-9-8-11-19(22)5-2/h8-9,11-14,16,18H,4-7,10,15,17H2,1-3H3
InChIKeyRUUXTMYXDSLIDG-UHFFFAOYSA-N
XLogP7.28
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenyl)-5-[4-(2-methylheptyl)-3-(trifluoromethyl)phenyl]-4H-imidazole?
The IUPAC name of 2-(2-ethylphenyl)-5-[4-(2-methylheptyl)-3-(trifluoromethyl)phenyl]-4H-imidazole (CID 71017363) is 2-(2-ethylphenyl)-5-[4-(2-methylheptyl)-3-(trifluoromethyl)phenyl]-4H-imidazole.
What is the SMILES notation for 2-(2-ethylphenyl)-5-[4-(2-methylheptyl)-3-(trifluoromethyl)phenyl]-4H-imidazole?
The canonical SMILES for 2-(2-ethylphenyl)-5-[4-(2-methylheptyl)-3-(trifluoromethyl)phenyl]-4H-imidazole is CCCCCC(C)Cc1ccc(C2=NC(c3ccccc3CC)=NC2)cc1C(F)(F)F.
What is the InChIKey of 2-(2-ethylphenyl)-5-[4-(2-methylheptyl)-3-(trifluoromethyl)phenyl]-4H-imidazole?
The InChIKey is RUUXTMYXDSLIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F3N2/c1-4-6-7-10-18(3)15-20-13-14-21(16-23(20)26(27,28)29)24-17-30-25(31-24)22-12-9-8-11-19(22)5-2/h8-9,11-14,16,18H,4-7,10,15,17H2,1-3H3.
What are the key properties of 2-(2-ethylphenyl)-5-[4-(2-methylheptyl)-3-(trifluoromethyl)phenyl]-4H-imidazole?
2-(2-ethylphenyl)-5-[4-(2-methylheptyl)-3-(trifluoromethyl)phenyl]-4H-imidazole has a molecular weight of 428.54 g/mol, XLogP of 7.28, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)-5-[4-(2-methylheptyl)-3-(trifluoromethyl)phenyl]-4H-imidazole is sourced from PubChem (CID 71017363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).